2-(6-methoxynaphthalen-2-yl)-4-(pyridine-3-carbonyl)morpholine

• ChemBase ID: 698773
• Molecular Formular: C21H20N2O3
• Molecular Mass: 348.3951
• Monoisotopic Mass: 348.14739251
• SMILES: N1(C(=O)c2cnccc2)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)C(=O)c1cccnc1
• InChI: InChI=1S/C21H20N2O3/c1-25-19-7-6-15-11-17(5-4-16(15)12-19)20-14-23(9-10-26-20)21(24)18-3-2-8-22-13-18/h2-8,11-13,20H,9-10,14H2,1H3
• InChIKey: QKZLKXWVTMVGRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridine-3-carbonyl)morpholine
• IUPAC Traditional name: 2-(6-methoxynaphthalen-2-yl)-4-(pyridine-3-carbonyl)morpholine
• Synonyms: 2-(6-methoxy-2-naphthyl)-4-(pyridin-3-ylcarbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4461863
• LogD (pH = 7.4): 2.4510486
• Log P: 2.451111
• Molar Refractivity: 99.0436 cm^3
• Polarizability: 39.20477 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.93
• LOG S: -3.39
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 3